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- W2058405559 abstract "Qualitative molecular orbital theory is applied to the prediction of the effect of metalloid substitution on the electronic spectra of simple two- and three-atom chromophores. This theory proceeds from the assumption that dative pi-bonding can take place from unshared pairs or from pi-type orbitals on adjacent atoms into unfilled orbitals on the metal, and that such pi-bonding will predominate over other effects in determining the energies of electronic transitions. The predicted effect of metalloid substitution depends on the nature of the chromophore. For some chromophores (those in Case II above, including ), the only interaction possible for the metal is that with antibonding pi-orbitals to stabilize the excited state, and a bathochromic shift of the principal electronic transition is predicted. For a few chromophores (Case III above) interaction is possible only with lone pairs to stabilize the ground state. and hypsochromic shifts are predicted upon metal substitution. Finally, there are many chromophores for which both types of interaction are possible (Cases I and IV above); either ground-state or excited-state stabilization is possible upon metalloid substitution, but energy considerations suggest that the latter will usually be favored, and that bathochromic shifts will be the general rule." @default.
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- W2058405559 date "1965-04-01" @default.
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- W2058405559 title "The effect of metalloid substitution on the electronic spectra of simple chromophores" @default.
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- W2058405559 doi "https://doi.org/10.1016/s0022-328x(00)84651-3" @default.
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